4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol

C16H30O2 — CID 65167036

IUPAC4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CCCC2CCCO2)CC1
InChIInChI=1S/C16H30O2/c1-15(2)8-5-10-16(17,12-11-15)9-3-6-14-7-4-13-18-14/h14,17H,3-13H2,1-2H3
InChIKeyUKVRGBZQOCTAPJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.06
Rot. Bonds4

About 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol

4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol (PubChem CID 65167036) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
PubChem CID65167036
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CCCC2CCCO2)CC1
InChIInChI=1S/C16H30O2/c1-15(2)8-5-10-16(17,12-11-15)9-3-6-14-7-4-13-18-14/h14,17H,3-13H2,1-2H3
InChIKeyUKVRGBZQOCTAPJ-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
4,4-dimethyl-3-[3-(oxolan-2-yl)propyl]thian-3-ol
CID 79955990
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-(oxolan-2-yl)butan-1-one
CID 116750015

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol (CID 65167036) is 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol is CC1(C)CCCC(O)(CCCC2CCCO2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol?
The InChIKey is UKVRGBZQOCTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15(2)8-5-10-16(17,12-11-15)9-3-6-14-7-4-13-18-14/h14,17H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol?
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol is sourced from PubChem (CID 65167036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).